N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide

C17H19N3O3 — CID 113019484

IUPACN-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C3CCCO3)cn2)cc1
InChIInChI=1S/C17H19N3O3/c1-22-14-7-4-12(5-8-14)19-16-9-6-13(11-18-16)20-17(21)15-3-2-10-23-15/h4-9,11,15H,2-3,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyBGINIAFSGWJWJK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.95
Rot. Bonds5

About N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide

N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 113019484) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
PubChem CID113019484
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C3CCCO3)cn2)cc1
InChIInChI=1S/C17H19N3O3/c1-22-14-7-4-12(5-8-14)19-16-9-6-13(11-18-16)20-17(21)15-3-2-10-23-15/h4-9,11,15H,2-3,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyBGINIAFSGWJWJK-UHFFFAOYSA-N
XLogP2.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113021203
N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113022851
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574
N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113023110
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]oxolane-2-carboxamide
CID 113013421
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide (CID 113019484) is N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide is COc1ccc(Nc2ccc(NC(=O)C3CCCO3)cn2)cc1.
What is the InChIKey of N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is BGINIAFSGWJWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-7-4-12(5-8-14)19-16-9-6-13(11-18-16)20-17(21)15-3-2-10-23-15/h4-9,11,15H,2-3,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide?
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113019484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).